Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Ag(NO)3”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ag2S by Materials Project

Ag2S crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Ag–S bond lengths are 2.44 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three equivalent S2- atoms. There are two shorter (2.51 Å) and one longer (2.79 Å) Ag–S bond lengths. S2- is bonded in a 5-coordinate geometry to five Ag1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

IRIXS: a resonant inelastic X-ray scattering instrument dedicated to X-rays in the intermediate energy range

A new resonant inelastic X-ray scattering (RIXS) instrument has been constructed at beamline P01 of the PETRA III synchrotron. This instrument has been named IRIXS (intermediate X-ray energy RIXS) and is dedicated to X-rays in the tender-energy regime (2.5–3.5 keV). The range covers the L 2,3 absorption edges of many of the 4delements (Mo, Tc, Ru, Rh, Pd and Ag), offering a unique opportunity to study their low-energy magnetic and charge excitations. The IRIXS instrument is currently operating at the Ru L 3 -edge (2840 eV) but can be extended to the other 4d elements using the existing concept. The incoming photons are monochromated with a four-bounce Si(111) monochromator, while the energy analysis of the outgoing photons is performed by a diced spherical crystal analyzer featuring (10$\bar{2}$ lattice planes of quartz (SiO 2 ). A total resolution of 100 meV (full width at half-maximum) has been achieved at the Ru L 3 -edge, a number that is in excellent agreement with ray-tracing simulations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Materials Data on Ni(AgO)2 by Materials Project

Ag2NiO2 is Calaverite-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Ag2NiO2 sheets oriented in the (0, 0, 1) direction. Ni2+ is bonded to six equivalent O2- atoms to form edge-sharing NiO6 octahedra. All Ni–O bond lengths are 2.06 Å. Ag1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Ag–O bond lengths are 2.42 Å. O2- is bonded to three equivalent Ni2+ and three equivalent Ag1+ atoms to form a mixture of edge and corner-sharing ONi3Ag3 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag2O by Materials Project

Ag2O is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Ag2O sheet oriented in the (0, 0, 1) direction. Ag1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Ag–O bond lengths are 2.35 Å. O2- is bonded to six equivalent Ag1+ atoms to form edge-sharing OAg6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Near-Field Passive Wireless Sensor for High-Temperature Metal Corrosion Monitoring

This work focuses on the fabrication and evaluation of a passive wireless sensor for the monitoring of the temperature and corrosion of a metal material at high temperatures. An inductor–capacitor (LC) resonator sensor was fabricated through the screen printing of Ag-based inks on dense polycrystalline Al 2 O 3 substrates. The LC design was modeled using the ANSYS HFSS modeling package, with the LC passive wireless sensors operating at frequencies from 70 to 100 MHz. The wireless response of the LC was interrogated and received by a radio frequency signal generator and spectrum analyzer at temperatures from 50 to 800 °C in real time. The corrosion kinetics of the Cu 110 was characterized through thermogravimetric (TGA) analysis and microscopy images, and the oxide thickness growth was then correlated to the wireless sensor signal under isothermal conditions at 800 °C. The results showed that the wireless signal was consistent with the corrosion kinetics and temperature, indicating that these two characteristics can be further deconvoluted in the future. In addition, the sensor also showed a magnitude- and frequency-dependent response to crack/spallation events in the oxide corrosion layer, permitting the in situ wireless identification of these catastrophic events on the metal surface at high temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InAg2SbSe4 by Materials Project

Ag2InSbSe4 is alpha Po-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to six Se2- atoms to form AgSe6 octahedra that share corners with two equivalent InSe6 octahedra, corners with four equivalent AgSe6 octahedra, edges with four equivalent AgSe6 octahedra, edges with four equivalent InSe6 octahedra, and edges with four equivalent SbSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are four shorter (2.85 Å) and two longer (2.99 Å) Ag–Se bond lengths. In the second Ag1+ site, Ag1+ is bonded to six Se2- atoms to form AgSe6 octahedra that share corners with two equivalent SbSe6 octahedra, corners with four equivalent AgSe6 octahedra, edges with four equivalent AgSe6 octahedra, edges with four equivalent InSe6 octahedra, and edges with four equivalent SbSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are four shorter (2.85 Å) and two longer (2.95 Å) Ag–Se bond lengths. In3+ is bonded to six Se2- atoms to form InSe6 octahedra that share corners with two equivalent AgSe6 octahedra, corners with four equivalent InSe6 octahedra, edges with four equivalent SbSe6 octahedra, and edges with eight AgSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (2.84 Å) and four longer (2.85 Å) In–Se bond lengths. Sb3+ is bonded to six Se2- atoms to form SbSe6 octahedra that share corners with two equivalent AgSe6 octahedra, corners with four equivalent SbSe6 octahedra, edges with four equivalent InSe6 octahedra, and edges with eight AgSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are four shorter (2.85 Å) and two longer (2.89 Å) Sb–Se bond lengths. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three Ag1+, two equivalent In3+, and one Sb3+ atom to form SeIn2Ag3Sb octahedra that share corners with six SeIn2Ag3Sb octahedra and edges with twelve SeInAg3Sb2 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second Se2- site, Se2- is bonded to three Ag1+, one In3+, and two equivalent Sb3+ atoms to form SeInAg3Sb2 octahedra that share corners with six SeInAg3Sb2 octahedra and edges with twelve SeIn2Ag3Sb octahedra. The corner-sharing octahedra tilt angles range from 0–3°. The Se–In bond length is 2.84 Å. In the third Se2- site, Se2- is bonded to three Ag1+, two equivalent In3+, and one Sb3+ atom to form a mixture of edge and corner-sharing SeIn2Ag3Sb octahedra. The corner-sharing octahedra tilt angles range from 0–1°. The Se–Ag bond length is 2.95 Å. In the fourth Se2- site, Se2- is bonded to three Ag1+, one In3+, and two equivalent Sb3+ atoms to form SeInAg3Sb2 octahedra that share corners with six equivalent SeInAg3Sb2 octahedra and edges with twelve SeIn2Ag3Sb octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the fifth Se2- site, Se2- is bonded to three Ag1+, two equivalent In3+, and one Sb3+ atom to form a mixture of edge and corner-sharing SeIn2Ag3Sb octahedra. The corner-sharing octahedra tilt angles range from 0–1°. Both Se–Ag bond lengths are 2.85 Å. Both Se–In bond lengths are 2.85 Å. The Se–Sb bond length is 2.89 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag3CS(NO2)3 by Materials Project

Ag3CS(NO2)3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to one N+2.33+, one S2-, and six O2- atoms. The Ag–N bond length is 2.34 Å. The Ag–S bond length is 2.80 Å. There are a spread of Ag–O bond distances ranging from 2.46–2.93 Å. In the second Ag1+ site, Ag1+ is bonded to two equivalent S2- and six O2- atoms to form distorted face-sharing AgS2O6 hexagonal bipyramids. Both Ag–S bond lengths are 2.76 Å. There are a spread of Ag–O bond distances ranging from 2.52–3.02 Å. In the third Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to one N+2.33+, one S2-, and four O2- atoms. The Ag–N bond length is 2.25 Å. The Ag–S bond length is 2.94 Å. There are a spread of Ag–O bond distances ranging from 2.40–3.05 Å. In the fourth Ag1+ site, Ag1+ is bonded to two equivalent S2- and six O2- atoms to form face-sharing AgS2O6 hexagonal bipyramids. Both Ag–S bond lengths are 2.59 Å. There are a spread of Ag–O bond distances ranging from 2.77–2.96 Å. C4+ is bonded in a distorted linear geometry to one N+2.33+ and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.65 Å. There are three inequivalent N+2.33+ sites. In the first N+2.33+ site, N+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.26–1.28 Å. In the second N+2.33+ site, N+2.33+ is bonded in a distorted single-bond geometry to two Ag1+ and one C4+ atom. In the third N+2.33+ site, N+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.26–1.29 Å. S2- is bonded in a 2-coordinate geometry to four Ag1+, one C4+, and one O2- atom. The S–O bond length is 3.15 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Ag1+, one N+2.33+, and one S2- atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Ag1+ and one N+2.33+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two Ag1+ and one N+2.33+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four Ag1+ and one N+2.33+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Ag1+ and one N+2.33+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Ag1+ and one N+2.33+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiAg2(NO2)3 by Materials Project

LiAg2(NO2)3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Li1+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.10–2.22 Å. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.45–2.59 Å. In the second Ag2+ site, Ag2+ is bonded in a distorted single-bond geometry to one O2- atom. The Ag–O bond length is 2.41 Å. There are three inequivalent N+2.33+ sites. In the first N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.27 Å) N–O bond length. In the second N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) N–O bond length. In the third N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.26 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ag2+, and one N+2.33+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one Ag2+, and one N+2.33+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ag2+, and one N+2.33+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ag2+, and one N+2.33+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one N+2.33+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one N+2.33+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag9Ge2NO11 by Materials Project

Ag9Ge2NO11 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are nine inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four O2- atoms to form distorted AgO4 trigonal pyramids that share corners with three GeO4 tetrahedra. There are a spread of Ag–O bond distances ranging from 2.31–2.68 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.29–2.47 Å. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.18–2.83 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.19–2.84 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.29–2.78 Å. In the sixth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.30 Å) and two longer (2.36 Å) Ag–O bond lengths. In the seventh Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.20–2.88 Å. In the eighth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.20–2.87 Å. In the ninth Ag1+ site, Ag1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are two shorter (2.16 Å) and one longer (2.76 Å) Ag–O bond lengths. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent AgO4 trigonal pyramids. There is two shorter (1.78 Å) and two longer (1.79 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one AgO4 trigonal pyramid. There are a spread of Ge–O bond distances ranging from 1.78–1.80 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. All N–O bond lengths are 1.27 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded to three Ag1+ and one Ge4+ atom to form distorted corner-sharing OAg3Ge tetrahedra. In the second O2- site, O2- is bonded to three Ag1+ and one Ge4+ atom to form distorted corner-sharing OAg3Ge tetrahedra. In the third O2- site, O2- is bonded to three Ag1+ and one Ge4+ atom to form distorted corner-sharing OAg3Ge tetrahedra. In the fourth O2- site, O2- is bonded to three Ag1+ and one Ge4+ atom to form distorted corner-sharing OAg3Ge tetrahedra. In the fifth O2- site, O2- is bonded to three Ag1+ and one Ge4+ atom to form distorted corner-sharing OAg3Ge tetrahedra. In the sixth O2- site, O2- is bonded to three Ag1+ and one Ge4+ atom to form distorted corner-sharing OAg3Ge tetrahedra. In the seventh O2- site, O2- is bonded to three Ag1+ and one Ge4+ atom to form distorted corner-sharing OAg3Ge tetrahedra. In the eighth O2- site, O2- is bonded to three Ag1+ and one Ge4+ atom to form distorted corner-sharing OAg3Ge tetrahedra. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to three Ag1+ and one N5+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to three Ag1+ and one N5+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to three Ag1+ and one N5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag3C(NO2)3 by Materials Project

AgCN(AgNO3)2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional and consists of two AgCN ribbons oriented in the (1, 0, 0) direction and one AgNO3 framework. In each AgCN ribbon, Ag1+ is bonded in a distorted linear geometry to one C4+ and one N+1.67+ atom. The Ag–C bond length is 2.05 Å. The Ag–N bond length is 2.10 Å. C4+ is bonded in a linear geometry to one Ag1+ and one N+1.67+ atom. The C–N bond length is 1.18 Å. N+1.67+ is bonded in a linear geometry to one Ag1+ and one C4+ atom. In the AgNO3 framework, there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ag–O bond distances ranging from 2.49–2.92 Å. In the second Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ag–O bond distances ranging from 2.47–2.93 Å. There are two inequivalent N+1.67+ sites. In the first N+1.67+ site, N+1.67+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.26–1.28 Å. In the second N+1.67+ site, N+1.67+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.26 Å) and two longer (1.28 Å) N–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Ag1+ and one N+1.67+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Ag1+ and one N+1.67+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ag1+ and one N+1.67+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ag1+ and one N+1.67+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ag1+ and one N+1.67+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ag1+ and one N+1.67+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgH11C4(SO)3 by Materials Project

AgC3H8(SO)3CH3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four methane molecules and two AgC3H8(SO)3 ribbons oriented in the (0, 1, 0) direction. In each AgC3H8(SO)3 ribbon, Ag1+ is bonded in a distorted tetrahedral geometry to two S2- and two O2- atoms. There are one shorter (2.50 Å) and one longer (2.52 Å) Ag–S bond lengths. There are one shorter (2.51 Å) and one longer (2.52 Å) Ag–O bond lengths. There are three inequivalent C sites. In the first C site, C is bonded in a distorted water-like geometry to two H1+ and two S2- atoms. Both C–H bond lengths are 1.10 Å. There is one shorter (1.80 Å) and one longer (1.82 Å) C–S bond length. In the second C site, C is bonded in a trigonal non-coplanar geometry to three H1+ and one S2- atom. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. The C–S bond length is 1.81 Å. In the third C site, C is bonded in a trigonal non-coplanar geometry to three H1+ and one S2- atom. All C–H bond lengths are 1.10 Å. The C–S bond length is 1.81 Å. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Ag1+ and two C atoms. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Ag1+ and two C atoms. In the third S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.49 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+ and one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag1+ and one S2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag3S(NO)3 by Materials Project

Ag3S(NO)3 crystallizes in the orthorhombic Pbcm space group. The structure is one-dimensional and consists of two Ag3S(NO)3 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two N+1.67+ atoms. There are one shorter (2.01 Å) and one longer (2.17 Å) Ag–N bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two N+1.67+ atoms. There are one shorter (2.15 Å) and one longer (2.19 Å) Ag–N bond lengths. There are three inequivalent N+1.67+ sites. In the first N+1.67+ site, N+1.67+ is bonded to three Ag1+ and one S2- atom to form distorted corner-sharing NAg3S tetrahedra. The N–S bond length is 1.60 Å. In the second N+1.67+ site, N+1.67+ is bonded to two equivalent Ag1+, one S2-, and one O2- atom to form distorted corner-sharing NAg2SO tetrahedra. The N–S bond length is 1.92 Å. The N–O bond length is 1.24 Å. In the third N+1.67+ site, N+1.67+ is bonded in a single-bond geometry to one Ag1+ atom. S2- is bonded in a distorted tetrahedral geometry to two N+1.67+ and two equivalent O2- atoms. Both S–O bond lengths are 1.45 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N+1.67+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgAs(SeF2)3 by Materials Project

AgAs(SeF2)3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two AgAs(SeF2)3 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted octahedral geometry to six Se atoms. There are four shorter (2.98 Å) and two longer (3.04 Å) Ag–Se bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 10-coordinate geometry to two equivalent Se and eight F1- atoms. Both Ag–Se bond lengths are 2.74 Å. There are four shorter (2.74 Å) and four longer (3.15 Å) Ag–F bond lengths. As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.80 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a distorted rectangular see-saw-like geometry to two Ag1+ and two equivalent Se atoms. Both Se–Se bond lengths are 2.40 Å. In the second Se site, Se is bonded in a distorted rectangular see-saw-like geometry to one Ag1+, two Se, and one F1- atom. The Se–Se bond length is 2.36 Å. The Se–F bond length is 3.15 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Ag1+, one As5+, and one Se atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ag1+ and one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag8GeTe6 by Materials Project

Ag8GeTe6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to two Ag1+ and four Te2- atoms. There are one shorter (2.85 Å) and one longer (2.96 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.77–3.07 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to one Ag1+ and four Te2- atoms. The Ag–Ag bond length is 3.18 Å. There are a spread of Ag–Te bond distances ranging from 2.82–3.20 Å. In the third Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to three Ag1+ and four Te2- atoms. There are one shorter (2.78 Å) and one longer (3.18 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.86–3.02 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three Ag1+ and four Te2- atoms. There are one shorter (2.90 Å) and one longer (3.12 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.80–3.16 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four Te2- atoms. There are one shorter (2.81 Å) and one longer (3.06 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.83–3.11 Å. In the sixth Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to two Ag1+ and four Te2- atoms. The Ag–Ag bond length is 2.81 Å. There are a spread of Ag–Te bond distances ranging from 2.79–3.37 Å. In the seventh Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four Te2- atoms. The Ag–Ag bond length is 2.89 Å. There are a spread of Ag–Te bond distances ranging from 2.90–3.06 Å. In the eighth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to three Ag1+ and four Te2- atoms. There are a spread of Ag–Te bond distances ranging from 2.75–3.32 Å. Ge4+ is bonded in a tetrahedral geometry to four Te2- atoms. There are a spread of Ge–Te bond distances ranging from 2.58–2.73 Å. There are six inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted hexagonal planar geometry to six Ag1+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to two Ag1+ and one Ge4+ atom. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to four Ag1+ and one Ge4+ atom. In the fourth Te2- site, Te2- is bonded in a 6-coordinate geometry to five Ag1+ and one Ge4+ atom. In the fifth Te2- site, Te2- is bonded in a 8-coordinate geometry to seven Ag1+ and one Ge4+ atom. In the sixth Te2- site, Te2- is bonded in a 8-coordinate geometry to eight Ag1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaAg(PO3)3 by Materials Project

AgBaP3O9 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.74–3.11 Å. Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.39–2.78 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.65 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.64 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+, one Ag1+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ba2+, one Ag1+, and one P5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Ba2+, one Ag1+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Ba2+, one Ag1+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Ba2+, one Ag1+, and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+, one Ag1+, and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A skew quadrupole for the AGS to minimize the polarization losses of the polarized beams

The partial helices installed in the Alternating Gradient Synchrotron (AGS) 9 [1] eliminate both, the imperfection and the vertical intrinsic spin resonances thus yielding a 70% polarized proton beam with rigidity 79.4 [Tm] with 2x10 11 protons/bunch at the end of the AGS acceleration cycle. The initial beam polarization at the exit of the 200 MeV Linac is measured to be 80%. The 10% loss of the polarization at the end of the AGS acceleration cycle is due to the horizontal spin resonances which are caused by the betatron oscillations of the beam in the presence of the partial helices. To reduce the effect of these horizontal spin resonances on the beam polarization, the “jump Quads method” is applied in the AGS [2] which eliminates, almost all, the horizontal spin resonances and increases the final polarization of the proton beam to the value of 70%. A study [3] shows that these horizontal spin resonances can be totally eliminated by introducing into the AGS ring, skew quadrupoles which linearly couple the beam motions to excite new horizontal spin resonances which minimize the horizontal-spin-resonances caused by the partial-helices.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Materials Data on CoAg(NO3)3 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbAg4I5 by Materials Project

RbAg4I5 is Pb (Zr_0.50 Ti_0.48) O_3-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six I1- atoms. There are a spread of Rb–I bond distances ranging from 3.55–4.21 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five I1- atoms. There are a spread of Rb–I bond distances ranging from 3.59–4.07 Å. In the third Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six I1- atoms. There are a spread of Rb–I bond distances ranging from 3.52–4.39 Å. In the fourth Rb1+ site, Rb1+ is bonded to six I1- atoms to form distorted RbI6 octahedra that share corners with two AgI4 trigonal pyramids and an edgeedge with one AgAgI4 tetrahedra. There are a spread of Rb–I bond distances ranging from 3.62–4.31 Å. There are sixteen inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four I1- atoms to form distorted AgI4 trigonal pyramids that share a cornercorner with one RbI6 octahedra and a cornercorner with one AgI4 trigonal pyramid. The corner-sharing octahedral tilt angles are 59°. There are a spread of Ag–I bond distances ranging from 2.73–3.79 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four I1- atoms. There are a spread of Ag–I bond distances ranging from 2.73–3.54 Å. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four I1- atoms. There are a spread of Ag–I bond distances ranging from 2.75–3.41 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two I1- atoms. There are one shorter (2.66 Å) and one longer (2.72 Å) Ag–I bond lengths. In the fifth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to one Ag1+ and four I1- atoms. The Ag–Ag bond length is 2.90 Å. There are a spread of Ag–I bond distances ranging from 2.76–3.15 Å. In the sixth Ag1+ site, Ag1+ is bonded in a distorted bent 150 degrees geometry to two I1- atoms. There are one shorter (2.71 Å) and one longer (2.72 Å) Ag–I bond lengths. In the seventh Ag1+ site, Ag1+ is bonded to one Ag1+ and four I1- atoms to form distorted AgAgI4 tetrahedra that share an edgeedge with one RbI6 octahedra. The Ag–Ag bond length is 3.13 Å. There are a spread of Ag–I bond distances ranging from 2.84–2.98 Å. In the eighth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four I1- atoms. There are a spread of Ag–I bond distances ranging from 2.77–3.22 Å. In the ninth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three Ag1+ and four I1- atoms. The Ag–Ag bond length is 3.05 Å. There are a spread of Ag–I bond distances ranging from 2.76–3.22 Å. In the tenth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to one Ag1+ and four I1- atoms. The Ag–Ag bond length is 3.16 Å. There are a spread of Ag–I bond distances ranging from 2.84–3.04 Å. In the eleventh Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three I1- atoms. There are a spread of Ag–I bond distances ranging from 2.73–2.87 Å. In the twelfth Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to one Ag1+ and five I1- atoms. There are a spread of Ag–I bond distances ranging from 2.81–3.81 Å. In the thirteenth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to three I1- atoms. There are a spread of Ag–I bond distances ranging from 2.70–3.46 Å. In the fourteenth Ag1+ site, Ag1+ is bonded in a distorted linear geometry to one Ag1+ and two I1- atoms. There are one shorter (2.66 Å) and one longer (2.70 Å) Ag–I bond lengths. In the fifteenth Ag1+ site, Ag1+ is bonded to four I1- atoms to form distorted AgI4 trigonal pyramids that share a cornercorner with one RbI6 octahedra and a cornercorner with one AgI4 trigonal pyramid. The corner-sharing octahedral tilt angles are 84°. There are a spread of Ag–I bond distances ranging from 2.76–3.41 Å. In the sixteenth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four I1- atoms. There are a spread of Ag–I bond distances ranging from 2.86–3.19 Å. There are twenty inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to four Ag1+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to two Rb1+ and two Ag1+ atoms. In the third I1- site, I1- is bonded in a 4-coordinate geometry to two Rb1+ and two Ag1+ atoms. In the fourth I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to one Rb1+ and two Ag1+ atoms. In the fifth I1- site, I1- is bonded in a 4-coordinate geometry to one Rb1+ and three Ag1+ atoms. In the sixth I1- site, I1- is bonded in a 2-coordinate geometry to one Rb1+ and two Ag1+ atoms. In the seventh I1- site, I1- is bonded in a 3-coordinate geometry to one Rb1+ and two Ag1+ atoms. In the eighth I1- site, I1- is bonded in a distorted trigonal planar geometry to two Rb1+ and one Ag1+ atom. In the ninth I1- site, I1- is bonded in a 3-coordinate geometry to two Rb1+ and one Ag1+ atom. In the tenth I1- site, I1- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and one Ag1+ atom. In the eleventh I1- site, I1- is bonded in a 4-coordinate geometry to four Ag1+ atoms. In the twelfth I1- site, I1- is bonded in a 3-coordinate geometry to one Rb1+ and two Ag1+ atoms. In the thirteenth I1- site, I1- is bonded in a 5-coordinate geometry to two Rb1+ and three Ag1+ atoms. In the fourteenth I1- site, I1- is bonded in a 5-coordinate geometry to two Rb1+ and three Ag1+ atoms. In the fifteenth I1- site, I1- is bonded in a 5-coordinate geometry to five Ag1+ atoms. In the sixteenth I1- site, I1- is bonded in a 5-coordinate geometry to five Ag1+ atoms. In the seventeenth I1- site, I1- is bonded in a 3-coordinate geometry to one Rb1+ and three Ag1+ atoms. In the eighteenth I1- site, I1- is bonded in a 3-coordinate geometry to two Rb1+ and three Ag1+ atoms. In the nineteenth I1- site, I1- is bonded in a 5-coordinate geometry to two Rb1+ and three Ag1+ atoms. In the twentieth I1- site, I1- is bonded in a 6-coordinate geometry to six Ag1+ atoms.

36 MATERIALS SCIENCE↗